Geometry & MOs

Info

ID:	135127
PubChem CID:	51819060
Reduced:	N3O5C29H39 (1)
Stoich.:	A3B5C29D39 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-203.34
Dipole, Da:	5.18
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)O)N(C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations